3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate

Base Information

• Chemical Name: 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate
• CAS No.: 1363374-89-3
• Molecular Formula: C₂₈H₂₉N₅O₆
• Molecular Weight: 531.568

Synonyms:3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate

Chemical Property of 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate

Chemical Property:

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Technology Process of 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate

There total 15 articles about 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 44.0%

4-[(4'-aminophenyl)buta-1,3-diyn-1-yl]benzoic acid (728878-27-1) + 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-amino-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate (1363374-87-1) → 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate (1363374-89-3)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 37h; Inert atmosphere;

Reference yield:

(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate (99314-44-0) → 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate (1363374-89-3)

Guidance literature:

Multi-step reaction with 10 steps

1.1: triethylamine; tetra-(n-butyl)ammonium iodide / N,N-dimethyl-formamide / 36 h / 70 °C / Inert atmosphere

2.1: boron trifluoride diethyl etherate / dichloromethane / 5 h / 0 - 20 °C / Inert atmosphere

2.2: 0.5 h

3.1: dichloromethane / -78 °C / Inert atmosphere

3.2: 2.08 h / -78 °C / Inert atmosphere

3.3: 0.67 h / -78 - 0 °C

4.1: isopropylmagnesium bromide / 2-methyltetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

4.2: 2 h / 20 °C

5.1: dichloromethane / -78 °C / Inert atmosphere

5.2: 2.58 h / -78 °C / Inert atmosphere

5.3: 0.67 h / -78 - 0 °C

6.1: tetrahydrofuran / 0.03 h / -78 °C / Inert atmosphere

6.2: 0.25 h / pH 7

7.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.08 h / 0 °C / Inert atmosphere

8.1: water; sodium L-ascorbate; copper(II) sulfate / tert-butyl alcohol / 24 h / 20 °C / Inert atmosphere

9.1: hydrogen / palladium 10% on activated carbon / methanol / 1 h

9.2: 18 h

10.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 37 h / 0 - 20 °C / Inert atmosphere

With boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; water; hydrogen; isopropylmagnesium bromide; tetra-(n-butyl)ammonium iodide; benzotriazol-1-ol; copper(II) sulfate; sodium L-ascorbate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon; In tetrahydrofuran; 2-methyltetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; tert-butyl alcohol;

Reference yield:

3-hydroxymethyl-3-methyloxethane (3143-02-0) → 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl (2S,3R)-2-(4-((4-aminophenyl)buta-1,3-diyn-1-yl)benzamido)-3-hydroxy-3-(1H-1,2,3-triazol-4-yl)butanoate (1363374-89-3)

Guidance literature:

Multi-step reaction with 11 steps

1.1: pyridine / 1.75 h / 0 - 20 °C / Inert atmosphere

2.1: triethylamine; tetra-(n-butyl)ammonium iodide / N,N-dimethyl-formamide / 36 h / 70 °C / Inert atmosphere

3.1: boron trifluoride diethyl etherate / dichloromethane / 5 h / 0 - 20 °C / Inert atmosphere

3.2: 0.5 h

4.1: dichloromethane / -78 °C / Inert atmosphere

4.2: 2.08 h / -78 °C / Inert atmosphere

4.3: 0.67 h / -78 - 0 °C

5.1: isopropylmagnesium bromide / 2-methyltetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

5.2: 2 h / 20 °C

6.1: dichloromethane / -78 °C / Inert atmosphere

6.2: 2.58 h / -78 °C / Inert atmosphere

6.3: 0.67 h / -78 - 0 °C

7.1: tetrahydrofuran / 0.03 h / -78 °C / Inert atmosphere

7.2: 0.25 h / pH 7

8.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.08 h / 0 °C / Inert atmosphere

9.1: water; sodium L-ascorbate; copper(II) sulfate / tert-butyl alcohol / 24 h / 20 °C / Inert atmosphere

10.1: hydrogen / palladium 10% on activated carbon / methanol / 1 h

10.2: 18 h

11.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 37 h / 0 - 20 °C / Inert atmosphere

With pyridine; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; water; hydrogen; isopropylmagnesium bromide; tetra-(n-butyl)ammonium iodide; benzotriazol-1-ol; copper(II) sulfate; sodium L-ascorbate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon; In tetrahydrofuran; 2-methyltetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; tert-butyl alcohol;

upstream raw materials:

(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate

4-trimethylsilanylethynyl-benzoic acid methyl ester

methyl 4-iodobenzoate

3-hydroxymethyl-3-methyloxethane

Downstream raw materials:

4-((4-aminophenyl)buta-1,3-diyn-1-yl)-N-((2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxo-3-(1H-1,2,3-triazol-4-yl)butan-2-yl)benzamide

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